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- 2015
- Automatic mechanism and kinetic model generation: a perspective on best practices, recent advances, and future challenges
- 2014
- Kinetic modeling of a-hydrogen abstractions from unsaturated and saturated oxygenate compounds by hydrogen atoms
- 2012
- Kinetics of alpha hydrogen abstractions in thiols, sulfides and thiocarbonyl compounds
- 2011
- First principle-based simulation of ethane steam cracking
- Hydrogenated amorphous silicon nanostructures: novel structure–reactivity relationships for cyclization and ring opening in the gas phase
- 2010
- Modeling the influence of resonance stabilization on the kinetics of hydrogen abstractions
- Kinetic correlations for H2 addition and elimination reaction mechanisms during silicon hydride pyrolysis
- Theoretical study of the thermal decomposition of dimethyl disulfide
- Hydrogen radical additions to unsaturated hydrocarbons and the reverse β-scission reactions: modeling of activation energies and pre-exponential factors
- Kinetics of substituted silylene addition and elimination in silicon nanocluster growth captured by group additivity